Charged states and band-gap narrowing in codoped ZnO nanowires for enhanced photoelectrochemical responses: Density functional first-principles calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 85, Issue 7, 2012, Pages

  Xu, Zhuo ^a   Zheng, Qing Rong ^a   Su, Gang ^a  

^a UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84863270792     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.075402     Document Type: Article

References (39)

1. C. A. Grimes, O. K. Varghese, and S. Ranjan, Light, Water, Hydrogen (Springer, Berlin, 2008).
2. 2 Nanotube Arrays (Springer, Berlin, 2009).
3. R. Asahi, T. Morikawa, T. Ohwaki, K. Aoki, and Y. Taga, Science SCIEAS 0036-8075 10.1126/science.1061051 293, 269 (2001). (Pubitemid 32694736)
4. S. H. Wei, J. Li, and Y. Yan, 33rd IEEE Photovoltaic Specialists Conference, NREL/CP-590-42522 (2008).
5. Y. Gai, J. Li, S. S. Li, J. B. Xia, and S. H. Wei, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.036402 102, 036402 (2009).
6. W. Zhu, X. Qiu, V. Iancu, X.-Q. Chen, H. Pan, W. Wang, N. M. Dimitrijevic, T. Rajh, H. M. Meyer, III, M. P. Paranthaman, G. M. Stocks, H. H. Weitering, B. Gu, G. Eres, and Z. Zhang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.226401 103, 226401 (2009).
7. K.-S. Ahn, T. Deutsch, Y. Yan, C.-S. Jiang, C. L. Perkins, J. Turner, and M. Al-Jassim, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2756517 102, 023517 (2007). (Pubitemid 47191962)
8. S. Shet, K.-S. Ahn, Y. Yan, T. Deutsch, K. M. Chrustowski, J. Turner, M. Al-Jassim, and N. Ravindra, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2888578 103, 073504 (2008). (Pubitemid 351537968)
9. K.-S. Ahn, Y. Yan, S. Shet, T. Deutsch, J. Turner, and M. Al-Jassim, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2822440 91, 231909 (2007). (Pubitemid 350234433)
10. S. Shet, K.-S. Ahn, T. Deutsch, H. Wang, N. Ravindra, Y. Yan, J. Turner, and M. Al-Jassim, J. Mater. Res. JMREEE 0884-2914 10.1557/JMR.2010.0017 25, 69 (2010).
11. X. Yang, A. Wolcott, G. Wang, A. Sobo, R. C. Fitzmorris, F. Qian, J. Z. Zhang, and Y. Li, Nano Lett. NALEFD 1530-6984 10.1021/nl900772q 9, 2331 (2009).
12. R. M. Sheetz, I. Ponomareva, E. Richter, A. N. Andriotis, and M. Menon, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.195314 80, 195314 (2009).
13. S.-G. Park, B. Magyari-Köpe, and Yoshio Nishi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.115109 82, 115109 (2010).
14. A. Janotti, J. B. Varley, P. Rinke, N. Umezawa, G. Kresse, and C. G. Van de Walle, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.085212 81, 085212 (2010).
15. W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
16. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
17. P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994);
18. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
19. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
20. M. Gajdos, K. Hummer, G. Kresse, J. Furthmuller, and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.045112 73, 045112 (2006). (Pubitemid 43270689)
21. A. Janotti and C. G. Van de Walle, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.165202 76, 165202 (2007).
22. A. I. Liechtenstein, V. I. Anisimov, and J. Zaanen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.52.R5467 52, R5467 (1995).
23. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.1505 57, 1505 (1998).
24. A. Janotti and C. G. Van de Walle, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2053360 87, 122102 (2005). (Pubitemid 41717369)
25. S. B. Zhang and J. E. Northrup, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339 67, 2339 (1991);
26. S. B. Zhang and J. E. Northrup, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.47.6791 47, R6791 (1993).
27. W.-J. Lee, J. Kang, and K. J. Chang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.024117 73, 024117 (2006). (Pubitemid 43270476)
28. G. Makov and M. C. Payne, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.51.4014 51, 4014 (1995).
29. T.-L. Chan, S. B. Zhang, and J. R. Chelikowsky, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.245440 83, 245440 (2011).
30. R. Rurali and X. Cartoixá, Nano Lett. NALEFD 1530-6984 10.1021/nl802847p 9, 975 (2009).
31. W.-J. Lee, J. Kang, and K. J. Chang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.024117 73, 024117 (2006). (Pubitemid 43270476)
32. Q. Wang, Q. Sun, and P. Jena, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/11/6/063035 11, 063035 (2009).
33. O. Madelung, Semiconductors-Basic Data, 2nd ed. (Springer, Berlin, 1996).
34. J. L. Lyons, A. Janotti, and C. G. Van de Walle, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3274043 95, 252105 (2009).
35. C.-W. Chen, K.-H. Chen, C.-H. Shen, A. Ganguly, L.-C. Chen, J.-J. Wu, H.-I. Wen, and W.-F. Pong, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2211047 88, 241905 (2006).
36. I. Ivanov and J. Pollmann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.24.7275 24, 7275 (1981).
37. Y. Wu, G. Chen, H. Ye, Y. Zhu, and Su-Huai Wei, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3003528 104, 084313 (2008).
38. H. Peng, Phys. Lett. A PYLAAG 0375-9601 10.1016/j.physleta.2007.10.011 372, 1527 (2008).
39. R.-Y. Tian and Y.-J. Zhao, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3195060 106, 043707 (2009).